(2R)-1-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: (2R)-1-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: (2R)-1-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitrophenoxy)propan-2-ol CAS Name: (2R)-1-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: (2R)-1-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: (2R)-1-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-3-(3-nitrophenoxy)propan-2-ol Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SC[C@@H](COC2=CC=CC(=C2)[N+](=O)[O-])O)C3CC3

InChI

InChI=1S/C17H20N4O4S/c1-2-8-20-16(12-6-7-12)18-19-17(20)26-11-14(22)10-25-15-5-3-4-13(9-15)21(23)24/h2-5,9,12,14,22H,1,6-8,10-11H2/t14-/m1/s1